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Reactive scattering of H2 from Cu(100): comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment.
Sementa L, Wijzenbroek M, van Kolck BJ, Somers MF, Al-Halabi A, Busnengo HF, Olsen RA, Kroes GJ, Rutkowski M, Thewes C, Kleimeier NF, Zacharias H. Sementa L, et al. Among authors: kleimeier nf. J Chem Phys. 2013 Jan 28;138(4):044708. doi: 10.1063/1.4776224. J Chem Phys. 2013. PMID: 23387616